1-(2-bicyclo[2.2.1]heptanyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol

C20H28O — CID 115778375

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
SMILESOC(CC1CCCc2ccccc21)CC1CC2CCC1C2
InChIInChI=1S/C20H28O/c21-19(13-18-11-14-8-9-16(18)10-14)12-17-6-3-5-15-4-1-2-7-20(15)17/h1-2,4,7,14,16-19,21H,3,5-6,8-13H2
InChIKeyDNSPQGIWINKBHU-UHFFFAOYSA-N
MW284.44 g/mol
LogP4.68
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol

1-(2-bicyclo[2.2.1]heptanyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol (PubChem CID 115778375) has the molecular formula C20H28O and a molecular weight of 284.44 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
PubChem CID115778375
Molecular FormulaC20H28O
Molecular Weight284.44 g/mol
Exact Mass284.21
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
SMILESOC(CC1CCCc2ccccc21)CC1CC2CCC1C2
InChIInChI=1S/C20H28O/c21-19(13-18-11-14-8-9-16(18)10-14)12-17-6-3-5-15-4-1-2-7-20(15)17/h1-2,4,7,14,16-19,21H,3,5-6,8-13H2
InChIKeyDNSPQGIWINKBHU-UHFFFAOYSA-N
XLogP4.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol with MolForge

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Related Compounds

1-cycloheptyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 115778435
1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol
CID 115831957
1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-ol
CID 63902035
1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 65130800
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
1-(2-methylcyclopentyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 107192023
3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
CID 79616532
3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
CID 63902024
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
2-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79559488
1-(2-bicyclo[2.2.1]heptanyl)-4-phenoxybutan-2-ol
CID 79558645
1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol (CID 115778375) is 1-(2-bicyclo[2.2.1]heptanyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol is OC(CC1CCCc2ccccc21)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol?
The InChIKey is DNSPQGIWINKBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O/c21-19(13-18-11-14-8-9-16(18)10-14)12-17-6-3-5-15-4-1-2-7-20(15)17/h1-2,4,7,14,16-19,21H,3,5-6,8-13H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol?
1-(2-bicyclo[2.2.1]heptanyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol has a molecular weight of 284.44 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol is sourced from PubChem (CID 115778375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).